Tan Lab | DSigDB

Gene Set: D4 : CTD - Mesalamine

Collection

D4 : CTD

Chemical Name

Mesalamine ( From PubChem : 5-AMINOSALICYLIC ACID )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Approved	Not	Not	Approved	Approved	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
153.135 g/mol	3	4	1.2538	True

Structure

InChI

InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)

InChIKey

KBOPZPXVLCULAV-UHFFFAOYSA-N

Links

Gene (33 / 60)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(cotreatment)			CCL20		D019804
CTD	decreases(expression)			CCL20		D019804
CTD	increases(expression)			CCL20		D019804
CTD	increases(secretion)			CXCL1		D019804
CTD	decreases(expression)			IL1B		D019804
CTD	increases(expression)			IL1B		D019804
CTD	increases(expression)			IL1B		D019804
CTD	decreases(reaction)			IL2		D019804
CTD	increases(expression)			IL2		D019804
CTD	decreases(reaction)			IL2RA		D019804
CTD	increases(expression)			IL2RA		D019804
CTD	increases(acetylation)			NAT1		D019804
CTD	increases(acetylation)			NAT2		D019804
CTD	increases(cleavage)			PARP1		D019804
CTD	decreases(reaction)			SLCO1B1		D019804
CTD	increases(uptake)			SLCO1B1		D019804
CTD	decreases(reaction)			SLCO1B3		D019804
CTD	increases(uptake)			SLCO1B3		D019804
CTD	decreases(reaction)			SLCO2B1		D019804
CTD	increases(uptake)			SLCO2B1		D019804
CTD	increases(expression)			TIMP2		D019804
CTD	increases(expression)			TNF		D019804
CTD	increases(reaction)			TNF		D019804
CTD	decreases(expression)			TNF		D019804
CTD	increases(expression)			TNF		D019804
CTD	decreases(expression)			TPM3		D019804
PubChem	None	uM		BCL2L1	-	GI(Protien) :
PubChem	Potency	uM	6.310	CASP1	-	GI(Protien) :
PubChem	Potency	uM	12.589	CASP1	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	39.811	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	3.162	EHMT2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	68.590	ESR1	-	GI(Protien) :
PubChem	None	uM		GAPDH	-	GI(Protien) :
PubChem	Potency	uM	15.849	GLS	-	GI(Protien) :
PubChem	None	uM		GSTO1	-	GI(Protien) :
PubChem	Potency	uM	11.220	HPGD	-	GI(Protien) :
PubChem	None	uM		ITGA4	-	GI(Protien) :
PubChem	None	uM		MCL1	-	GI(Protien) :
PubChem	None	uM		PADI4	-	GI(Protien) :
PubChem	None	uM		PLA2G7	-	GI(Protien) :
PubChem	Potency	uM	1.062	POLK	-	GI(Protien) :
PubChem	Potency	uM	5.973	POLK	-	GI(Protien) :
PubChem	Potency	uM	11.220	USP1	-	GI(Protien) :
PubChem	Potency	uM	39.811	USP1	-	GI(Protien) :
PubChem	Potency	uM	44.668	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	6309.600	CASP1	-	Target : CHEMBL4801
ChEMBL	Potency	nM	12589.300	CASP1	-	Target : CHEMBL4801
ChEMBL	Potency	nM	5011.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	5011.870	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	39810.700	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	3162.300	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	11220.200	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	15848.900	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	10000.000	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	10000.000	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	7079.500	RECQL	-	Target : CHEMBL1293236
ChEMBL	Potency	nM	3981.100	RECQL	-	Target : CHEMBL1293236

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